SCHEMBL4465371

SCHEMBL4465371

COCC(=O)Nc1cc2n(c(=O)n1)CCc1cc(OC)ccc1-2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 10/20 0.55
KDM4E B2RXH2 6/20 0.50
KMT2A Q03164 4/20 0.50
HSD17B10 Q99714 4/20 0.50
ALDH1A1 P00352 4/20 0.50
HPGD P15428 4/20 0.50
TSHR P16473 2/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
PDE4A P27815 1/20 0.50
POLB P06746 3/20 0.48
MEN1 O00255 1/20 0.48
CASP6 P55212 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
SIRT5 Q9NXA8 1/20 0.48
MAPK1 P28482 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4465142 0.82 KDM4E (0.59) GPR84KDM4EKMT2AHSD17B10ALDH1A1
SCHEMBL4475381 0.82 GPR84 (0.67) GPR84KDM4EKMT2AHSD17B10ALDH1A1
SCHEMBL4474957 0.81 GPR84 (0.49) GPR84KDM4EKMT2AHSD17B10ALDH1A1
SCHEMBL4477608 0.80 KDM4E (0.59) GPR84KDM4EKMT2AHSD17B10ALDH1A1
SCHEMBL4471631 0.79 GPR84 (0.67) GPR84KDM4EKMT2AHSD17B10ALDH1A1
SCHEMBL4464911 0.78 KDM4E (0.59) GPR84KDM4EKMT2AHSD17B10ALDH1A1
SCHEMBL4462273 0.78 KDM4E (0.69) GPR84KDM4EKMT2AHSD17B10ALDH1A1
SCHEMBL4475417 0.77 KDM4E (0.56) GPR84KDM4EKMT2AHSD17B10ALDH1A1
SCHEMBL4474696 0.77 KDM4E (0.61) GPR84KDM4EKMT2AHSD17B10ALDH1A1
SCHEMBL4473114 0.77 POLB (0.61) GPR84KDM4EKMT2AHSD17B10ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501512-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-03-10 US claimed
US-20060178384-A1 2-(2,6-dimethoxy-phenylamino)-9-methoxy-6,7-dihydro-pyrimido[6,1-a]isoquinolin-4-one; 3-bromo-N-[3-(9-methoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-ylamino)-phenyl]-benzamide; kinase inhibitor; neutropenia; cytopenia; anemias SMITHKLINE BEECHAM CORPORATION 2006-08-10 US claimed
US-7501512-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-03-10 US disclosed
US-7501512-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-03-10 US disclosed
US-7501512-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-03-10 US disclosed
US-20060178384-A1 2-(2,6-dimethoxy-phenylamino)-9-methoxy-6,7-dihydro-pyrimido[6,1-a]isoquinolin-4-one; 3-bromo-N-[3-(9-methoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-ylamino)-phenyl]-benzamide; kinase inhibitor; neutropenia; cytopenia; anemias SMITHKLINE BEECHAM CORPORATION 2006-08-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060178384-A1 2-(2,6-dimethoxy-phenylamino)-9-methoxy-6,7-dihydro-pyrimido[6,1-a]isoquinolin-4-one; 3-bromo-N-[3-(9-methoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-ylamino)-phenyl]-benzamide; kinase inhibitor; neutropenia; cytopenia; anemias ABL1, MAP3K6, MAP4K2 GPR84 2674/4885KDM4E 1095/4885KMT2A 473/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.